[4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol

C15H14N2O2S2 — CID 175578641

IUPAC[4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol
SMILESCSc1nc(OCc2ccc(CO)cc2)c2ccsc2n1
InChIInChI=1S/C15H14N2O2S2/c1-20-15-16-13(12-6-7-21-14(12)17-15)19-9-11-4-2-10(8-18)3-5-11/h2-7,18H,8-9H2,1H3
InChIKeyAXYZBNHWYNZJMU-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.48
Rot. Bonds5

About [4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol

[4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol (PubChem CID 175578641) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol
PubChem CID175578641
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name[4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol
SMILESCSc1nc(OCc2ccc(CO)cc2)c2ccsc2n1
InChIInChI=1S/C15H14N2O2S2/c1-20-15-16-13(12-6-7-21-14(12)17-15)19-9-11-4-2-10(8-18)3-5-11/h2-7,18H,8-9H2,1H3
InChIKeyAXYZBNHWYNZJMU-UHFFFAOYSA-N
XLogP3.48
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol with MolForge

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Related Compounds

2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine
CID 175578608
2,4-diethoxythieno[2,3-d]pyrimidine
CID 119087931
N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine
CID 103331360
4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoic acid
CID 171784132
2-chloro-4-ethoxythieno[2,3-d]pyrimidine
CID 103319715
ethyl 4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrimidine-5-carboxylate
CID 22125138
(3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone
CID 171784168
[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone
CID 171784172
4-(2-methylpropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331483
2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine
CID 103320209
5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole
CID 1485914
5-ethyl-4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrano[2,3-d]pyrimidin-7-one
CID 59304827

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol?
The IUPAC name of [4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol (CID 175578641) is [4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol.
What is the SMILES notation for [4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol?
The canonical SMILES for [4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol is CSc1nc(OCc2ccc(CO)cc2)c2ccsc2n1.
What is the InChIKey of [4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol?
The InChIKey is AXYZBNHWYNZJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-20-15-16-13(12-6-7-21-14(12)17-15)19-9-11-4-2-10(8-18)3-5-11/h2-7,18H,8-9H2,1H3.
What are the key properties of [4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol?
[4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol has a molecular weight of 318.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol is sourced from PubChem (CID 175578641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).